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Compile Data Set for Download or QSAR

Found 1260 hits with Last Name = 'tsou' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277668
PNG
((R)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277629
PNG
(2-(9-(2,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-15(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-16-4-3-13(22)10-14(16)23/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277631
PNG
(2-(1-isopropyl-9-(2,4,5-trichlorophenylthio)-7,8-d...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3cc(Cl)c(Cl)cc3Cl)c12
Show InChI InChI=1S/C21H19Cl3N2O2S/c1-10(2)19-18-15(3-5-25-19)26-6-4-11(7-17(27)28)20(26)21(18)29-16-9-13(23)12(22)8-14(16)24/h3,5,8-11H,4,6-7H2,1-2H3,(H,27,28)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277577
PNG
(2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)
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0.530n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277632
PNG
((S)-2-(9-(3,4-dichlorophenylthio)-1-isopropyl-7,8-...)
Show SMILES CC(C)c1nccc2n3CC[C@@H](CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12 |r|
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)19-18-16(5-7-24-19)25-8-6-12(9-17(26)27)20(25)21(18)28-13-3-4-14(22)15(23)10-13/h3-5,7,10-12H,6,8-9H2,1-2H3,(H,26,27)/t12-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277630
PNG
(2-(1-isopropyl-9-(4-(trifluoromethyl)phenylthio)-7...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H21F3N2O2S/c1-12(2)19-18-16(7-9-26-19)27-10-8-13(11-17(28)29)20(27)21(18)30-15-5-3-14(4-6-15)22(23,24)25/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,28,29)
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0.670n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277575
PNG
(2-(9-(4-chlorophenylthio)-1-isopropyl-7,8-dihydro-...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H21ClN2O2S/c1-12(2)19-18-16(7-9-23-19)24-10-8-13(11-17(25)26)20(24)21(18)27-15-5-3-14(22)4-6-15/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,25,26)
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0.710n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277573
PNG
(2-(1-(cyclopropylmethyl)-9-(3,4-dichlorophenylthio...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-4-3-14(11-16(15)24)29-22-20-17(9-12-1-2-12)25-7-5-18(20)26-8-6-13(21(22)26)10-19(27)28/h3-5,7,11-13H,1-2,6,8-10H2,(H,27,28)
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0.740n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277540
PNG
(2-(1-cyclopropyl-9-(3,4-dichlorophenylthio)-7,8-di...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C21H18Cl2N2O2S/c22-14-4-3-13(10-15(14)23)28-21-18-16(5-7-24-19(18)11-1-2-11)25-8-6-12(20(21)25)9-17(26)27/h3-5,7,10-12H,1-2,6,8-9H2,(H,26,27)
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0.800n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277576
PNG
(2-(10-(3,4-dichlorophenylthio)-1-isopropyl-6,7,8,9...)
Show SMILES CC(C)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)20-19-17(7-8-25-20)26-9-3-4-13(10-18(27)28)21(26)22(19)29-14-5-6-15(23)16(24)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277443
PNG
((+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)
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0.880n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277538
PNG
(2-(9-(3,4-dichlorophenylthio)-1-ethyl-7,8-dihydro-...)
Show SMILES CCc1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-2-15-18-16(5-7-23-15)24-8-6-11(9-17(25)26)19(24)20(18)27-12-3-4-13(21)14(22)10-12/h3-5,7,10-11H,2,6,8-9H2,1H3,(H,25,26)
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0.910n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
PDB

KEGG

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277479
PNG
(2-(9-(3,4-dichlorophenylthio)-1-phenyl-7,8-dihydro...)
Show SMILES OC(=O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)-c1ccccc1
Show InChI InChI=1S/C24H18Cl2N2O2S/c25-17-7-6-16(13-18(17)26)31-24-21-19(28-11-9-15(23(24)28)12-20(29)30)8-10-27-22(21)14-4-2-1-3-5-14/h1-8,10,13,15H,9,11-12H2,(H,29,30)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184241
PNG
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277537
PNG
(2-(10-(3,4-dichlorophenylthio)-1-ethyl-6,7,8,9-tet...)
Show SMILES CCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-2-16-19-17(7-8-24-16)25-9-3-4-12(10-18(26)27)20(25)21(19)28-13-5-6-14(22)15(23)11-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,27)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184222
PNG
(2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(me...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc4ccc(Cl)cc4n3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277541
PNG
(2-(1-(cyclopropylmethyl)-10-(3,4-dichlorophenylthi...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
Show InChI InChI=1S/C23H22Cl2N2O2S/c24-16-6-5-15(12-17(16)25)30-23-21-18(10-13-3-4-13)26-8-7-19(21)27-9-1-2-14(22(23)27)11-20(28)29/h5-8,12-14H,1-4,9-11H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205276
PNG
(CHEMBL385126 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CC(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H19ClFNO3/c1-12(26)18-9-16(24)10-19-17-7-4-14(8-20(27)28)21(17)25(22(18)19)11-13-2-5-15(23)6-3-13/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3,(H,27,28)/t14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277574
PNG
(2-(10-(3,4-dichlorophenylthio)-1-propyl-6,7,8,9-te...)
Show SMILES CCCc1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-2-4-17-20-18(8-9-25-17)26-10-3-5-13(11-19(27)28)21(26)22(20)29-14-6-7-15(23)16(24)12-14/h6-9,12-13H,2-5,10-11H2,1H3,(H,27,28)
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277628
PNG
(2-(9-(2,6-dichlorophenylthio)-1-isopropyl-7,8-dihy...)
Show SMILES CC(C)c1nccc2n3CCC(CC(O)=O)c3c(Sc3c(Cl)cccc3Cl)c12
Show InChI InChI=1S/C21H20Cl2N2O2S/c1-11(2)18-17-15(6-8-24-18)25-9-7-12(10-16(26)27)19(25)21(17)28-20-13(22)4-3-5-14(20)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,26,27)
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1.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277444
PNG
(2-(10-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-...)
Show SMILES CS(=O)(=O)c1nccc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)20-17-15(6-7-23-20)24-8-2-3-11(9-16(25)26)18(24)19(17)29-12-4-5-13(21)14(22)10-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277988
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277445
PNG
(2-(9-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-7...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C19H16Cl2N2O4S2/c1-29(26,27)19-16-14(4-6-22-19)23-7-5-10(8-15(24)25)17(23)18(16)28-11-2-3-12(20)13(21)9-11/h2-4,6,9-10H,5,7-8H2,1H3,(H,24,25)
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1.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50205274
PNG
(CHEMBL426387 | [(3R)-5-bromo-4-(4-chlorobenzyl)-7-...)
Show SMILES OC(=O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21
Show InChI InChI=1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277939
PNG
((+/-)-2-(4-(methylsulfonyl)-5-(naphthalen-1-ylthio...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc4ccccc34)c12
Show InChI InChI=1S/C24H22N2O4S2/c1-32(29,30)19-11-12-25-24-21(19)23(22-16(14-20(27)28)8-5-13-26(22)24)31-18-10-4-7-15-6-2-3-9-17(15)18/h2-4,6-7,9-12,16H,5,8,13-14H2,1H3,(H,27,28)
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184230
PNG
(2-((R)-9-(4-chlorobenzyl)-8-((S)-methylsulfinyl)-2...)
Show SMILES C[S@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184236
PNG
(2-(4-(4-chlorobenzyl)-5-bromo-7-(methylsulfonyl)-1...)
Show SMILES CS(=O)(=O)c1cc(Br)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C21H19BrClNO4S/c1-29(27,28)15-9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18(22)10-15)11-12-2-5-14(23)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184215
PNG
(2-(9-(4-chlorobenzyl)-6,8-difluoro-2,3,4,9-tetrahy...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21
Show InChI InChI=1S/C21H18ClF2NO2/c22-14-6-4-12(5-7-14)11-25-20-13(8-19(26)27)2-1-3-16(20)17-9-15(23)10-18(24)21(17)25/h4-7,9-10,13H,1-3,8,11H2,(H,26,27)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184213
PNG
(2-(9-(4-chlorobenzyl)-8-isopropyl-2,3,4,9-tetrahyd...)
Show SMILES CC(C)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C24H26ClNO2/c1-15(2)19-6-4-8-21-20-7-3-5-17(13-22(27)28)23(20)26(24(19)21)14-16-9-11-18(25)12-10-16/h4,6,8-12,15,17H,3,5,7,13-14H2,1-2H3,(H,27,28)
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1.70n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278036
PNG
((+/-)-2-(5-(2,4-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184217
PNG
(2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(me...)
Show SMILES CC(O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O
Show InChI InChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184216
PNG
(2-((R)-9-(4-chlorobenzyl)-8-((R)-methylsulfinyl)-2...)
Show SMILES C[S@@](=O)c1cccc2c3CCC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)/t15-,28-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184225
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfonyl)-2,3,4,9-t...)
Show SMILES CS(=O)(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO4S/c1-29(27,28)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277940
PNG
((+/-)-2-(5-(2,3-dichlorophenylthio)-4-(methylsulfo...)
Show SMILES CS(=O)(=O)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3cccc(Cl)c3Cl)c12
Show InChI InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)14-7-8-23-20-16(14)19(29-13-6-2-5-12(21)17(13)22)18-11(10-15(25)26)4-3-9-24(18)20/h2,5-8,11H,3-4,9-10H2,1H3,(H,25,26)
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1.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277446
PNG
(2-(9-(4-chlorophenylthio)-1-(methylsulfonyl)-7,8-d...)
Show SMILES CS(=O)(=O)c1nccc2n3CCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H17ClN2O4S2/c1-28(25,26)19-16-14(6-8-21-19)22-9-7-11(10-15(23)24)17(22)18(16)27-13-4-2-12(20)3-5-13/h2-6,8,11H,7,9-10H2,1H3,(H,23,24)
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2.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184244
PNG
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
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2.20n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50278040
PNG
((+/-)-2-(5-(3,4-dichlorophenylthio)-4-isopropyl-6,...)
Show SMILES CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H22Cl2N2O2S/c1-12(2)15-7-8-25-22-19(15)21(29-14-5-6-16(23)17(24)11-14)20-13(10-18(27)28)4-3-9-26(20)22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,28)
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2.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184228
PNG
(2-(9-(4-chlorobenzyl)-2,3,4,9-tetrahydro-1H-carbaz...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21
Show InChI InChI=1S/C21H20ClNO2/c22-16-10-8-14(9-11-16)13-23-19-7-2-1-5-17(19)18-6-3-4-15(21(18)23)12-20(24)25/h1-2,5,7-11,15H,3-4,6,12-13H2,(H,24,25)
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50277539
PNG
(2-(1-cyclopropyl-10-(3,4-dichlorophenylthio)-6,7,8...)
Show SMILES OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(nccc21)C1CC1
Show InChI InChI=1S/C22H20Cl2N2O2S/c23-15-6-5-14(11-16(15)24)29-22-19-17(7-8-25-20(19)12-3-4-12)26-9-1-2-13(21(22)26)10-18(27)28/h5-8,11-13H,1-4,9-10H2,(H,27,28)
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 2125-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.010
BindingDB Entry DOI: 10.7270/Q2W9593R
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human DP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184212
PNG
((R)-2-(4-(4-chlorobenzyl)-5-acetyl-7-(methylsulfon...)
Show SMILES CC(=O)c1cc(cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H22ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3,(H,27,28)/t15-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184244
PNG
(2-(9-(4-chlorobenzyl)-8-bromo-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21
Show InChI InChI=1S/C21H19BrClNO2/c22-18-6-2-5-17-16-4-1-3-14(11-19(25)26)20(16)24(21(17)18)12-13-7-9-15(23)10-8-13/h2,5-10,14H,1,3-4,11-12H2,(H,25,26)
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50184241
PNG
(2-(9-(4-chlorobenzyl)-8-(methylthio)-2,3,4,9-tetra...)
Show SMILES CSc1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO2S/c1-27-19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to TP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184219
PNG
(2-(4-(4-chlorobenzyl)-5-cyclohexyl-7-(methylsulfon...)
Show SMILES CS(=O)(=O)c1cc(C2CCCCC2)c2n(Cc3ccc(Cl)cc3)c3C(CC(O)=O)CCc3c2c1
Show InChI InChI=1S/C27H30ClNO4S/c1-34(32,33)21-14-23(18-5-3-2-4-6-18)27-24(15-21)22-12-9-19(13-25(30)31)26(22)29(27)16-17-7-10-20(28)11-8-17/h7-8,10-11,14-15,18-19H,2-6,9,12-13,16H2,1H3,(H,30,31)
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50184238
PNG
(2-(9-(4-chlorobenzyl)-8-(methylsulfinyl)-2,3,4,9-t...)
Show SMILES CS(=O)c1cccc2c3CCCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H22ClNO3S/c1-28(27)19-7-3-6-18-17-5-2-4-15(12-20(25)26)21(17)24(22(18)19)13-14-8-10-16(23)11-9-14/h3,6-11,15H,2,4-5,12-13H2,1H3,(H,25,26)
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2.80n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to DP receptor


Bioorg Med Chem Lett 16: 3043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.062
BindingDB Entry DOI: 10.7270/Q24M944X
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50205275
PNG
(CHEMBL426559 | [(3R)-4-(4-chlorobenzyl)-7-fluoro-5...)
Show SMILES CS(=O)(=O)c1cc(F)cc2c3CC[C@H](CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



Merck Frosst Canada & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human TP receptor expressed in HEK293 cells


J Med Chem 50: 794-806 (2007)


Article DOI: 10.1021/jm0603668
BindingDB Entry DOI: 10.7270/Q20P0ZP2
More data for this
Ligand-Target Pair
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